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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:26:41 UTC
Update Date2025-03-25 01:51:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02540984
Frequency0.5
Structure
Chemical FormulaC4H7N3O3
Molecular Mass145.0487
SMILESCN1C(=O)NCC1[N+](=O)[O-]
InChI KeyLOLVFEGCQSHRBL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazolidines
Subclass imidazolidines
Direct Parent imidazolidinones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • c-nitro compounds
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carbonyl group
  • carbonic acid derivative
  • azacycle
  • allyl-type 1,3-dipolar organic compound
  • organic 1,3-dipolar compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • imidazolidinone
  • organic oxide
  • organic oxygen compound
  • c-nitro compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • organooxygen compound
  • organic hyponitrite